General Information of the Compound
| Compound ID |
CP0862007
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| Compound Name |
4-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-4-oxo-butanoic acid
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| Structure |
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| Formula |
C55H71N9O9
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| Molecular Weight |
1002.227
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O
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| InChI |
InChI=1S/C55H71N9O9/c1-33(2)27-43(50(57)68)60-52(70)44(28-34(3)4)61-55(73)47(31-38-32-58-41-22-11-10-21-40(38)41)64-53(71)45(29-35-15-6-5-7-16-35)62-54(72)46(30-37-19-14-18-36-17-8-9-20-39(36)37)63-51(69)42(23-12-13-26-56)59-48(65)24-25-49(66)67/h5-11,14-22,32-34,42-47,58H,12-13,23-31,56H2,1-4H3,(H2,57,68)(H,59,65)(H,60,70)(H,61,73)(H,62,72)(H,63,69)(H,64,71)(H,66,67)/t42-,43-,44-,45-,46-,47+/m0/s1
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| InChIKey |
JAWPFCXDIHXCLS-QBZZQPRGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound